2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1629 |
| Compound Name: | 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 394.46 |
| Molecular Formula: | C20 H21 F3 N2 O S |
| Smiles: | Cc1cc(c(C#N)c(n1)SCC(C12CC3CC(CC(C3)C2)C1)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6773 |
| logD: | 5.6773 |
| logSw: | -5.5336 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.857 |
| InChI Key: | QKNQRDRBZZWDCP-UHFFFAOYSA-N |